SCHEMBL3289402

SCHEMBL3289402

COc1ccc(C(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PRKAA2 P54646 2/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
NTRK1 P04629 1/20 0.43
KCNH2 Q12809 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
APOB P04114 2/20 0.42
MTTP P55157 2/20 0.42
CSF1R P07333 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3289246 0.93 NPC1 (0.51) NPC1RAB9APRKAA2APOBMTTP
SCHEMBL3289265 0.91 KCNK3 (0.49) NPC1RAB9APRKAA2NTRK1KCNH2
SCHEMBL3289866 0.90 PRKAA2 (0.46) NPC1RAB9APRKAA2APOBMTTP
SCHEMBL13329172 0.90 NPC1 (0.47) NPC1RAB9AL3MBTL1PRKAA2PDE4B
SCHEMBL3292606 0.90 CSF1R (0.46) NPC1RAB9APRKAA2KCNK3KCNK9
SCHEMBL3317661 0.89 L3MBTL1 (0.44) NPC1RAB9AL3MBTL1PRKAA2PDE4B
SCHEMBL3293800 0.88 NTRK1 (0.49) NPC1RAB9APRKAA2NTRK1KCNH2
SCHEMBL3288874 0.88 APOB (0.45) NPC1RAB9APRKAA2NTRK1KCNH2
SCHEMBL3289470 0.87 APOB (0.54) NPC1RAB9APRKAA2NTRK1KCNH2
Carbamic Acid SCHEMBL4396683 0.87 MTTP (0.52) NPC1RAB9ANTRK1KCNH2NTRK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US claimed
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP claimed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US claimed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
US-7723358-B2 Aroyl-O-piperidine derivatives for the treatment of diabetes-related problems MERCK PATENT GMBH (DE) 2010-05-25 US disclosed
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US disclosed
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems GPR119, FABP4, LIPC NPC1 448/4885RAB9A 2118/4885L3MBTL1 2396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.